8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one

C17H22FN3O2 — CID 10567642

IUPAC8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CCCN1CCC2(CC1)NCNC2=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c18-14-5-3-13(4-6-14)15(22)2-1-9-21-10-7-17(8-11-21)16(23)19-12-20-17/h3-6,20H,1-2,7-12H2,(H,19,23)
InChIKeyUFSMXFRTFHFHRJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.30
Rot. Bonds5

About 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one

8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10567642) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10567642
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CCCN1CCC2(CC1)NCNC2=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c18-14-5-3-13(4-6-14)15(22)2-1-9-21-10-7-17(8-11-21)16(23)19-12-20-17/h3-6,20H,1-2,7-12H2,(H,19,23)
InChIKeyUFSMXFRTFHFHRJ-UHFFFAOYSA-N
XLogP1.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 10567642) is 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C(CCCN1CCC2(CC1)NCNC2=O)c1ccc(F)cc1.
What is the InChIKey of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is UFSMXFRTFHFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-5-3-13(4-6-14)15(22)2-1-9-21-10-7-17(8-11-21)16(23)19-12-20-17/h3-6,20H,1-2,7-12H2,(H,19,23).
What are the key properties of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 319.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10567642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).